@article{LindowBaumHege2014, author = {Lindow, Norbert and Baum, Daniel and Hege, Hans-Christian}, title = {Ligand Excluded Surface: A New Type of Molecular Surface}, series = {IEEE Transactions on Visualization and Computer Graphics}, volume = {20}, journal = {IEEE Transactions on Visualization and Computer Graphics}, number = {12}, doi = {10.1109/TVCG.2014.2346404}, pages = {2486 -- 2495}, year = {2014}, abstract = {The most popular molecular surface in molecular visualization is the solvent excluded surface (SES). It provides information about the accessibility of a biomolecule for a solvent molecule that is geometrically approximated by a sphere. During a period of almost four decades, the SES has served for many purposes - including visualization, analysis of molecular interactions and the study of cavities in molecular structures. However, if one is interested in the surface that is accessible to a molecule whose shape differs significantly from a sphere, a different concept is necessary. To address this problem, we generalize the definition of the SES by replacing the probe sphere with the full geometry of the ligand defined by the arrangement of its van der Waals spheres. We call the new surface ligand excluded surface (LES) and present an efficient, grid-based algorithm for its computation. Furthermore, we show that this algorithm can also be used to compute molecular cavities that could host the ligand molecule. We provide a detailed description of its implementation on CPU and GPU. Furthermore, we present a performance and convergence analysis and compare the LES for several molecules, using as ligands either water or small organic molecules.}, language = {en} } @article{EggerDercksenUdvaryetal., author = {Egger, Robert and Dercksen, Vincent J. and Udvary, Daniel and Hege, Hans-Christian and Oberlaender, Marcel}, title = {Generation of dense statistical connectomes from sparse morphological data}, series = {Frontiers in Neuroanatomy}, volume = {8}, journal = {Frontiers in Neuroanatomy}, number = {129}, doi = {10.3389/fnana.2014.00129}, language = {en} } @inproceedings{KlindtProhaskaBaumetal.2012, author = {Klindt, Marco and Prohaska, Steffen and Baum, Daniel and Hege, Hans-Christian}, title = {Conveying Archaeological Contexts to Museum Visitors: Case Study Pergamon Exhibition}, series = {VAST12: The 13th International Symposium on Virtual Reality, Archaeology and Intelligent Cultural Heritage - Short Papers}, booktitle = {VAST12: The 13th International Symposium on Virtual Reality, Archaeology and Intelligent Cultural Heritage - Short Papers}, editor = {Arnold, David and Kaminski, Jaime and Niccolucci, Franco and Stork, Andre}, publisher = {Eurographics Association}, address = {Brighton, UK}, doi = {10.2312/PE/VAST/VAST12S/025-028}, pages = {25 -- 28}, year = {2012}, language = {en} } @inproceedings{KlindtBaumProhaskaetal.2012, author = {Klindt, Marco and Baum, Daniel and Prohaska, Steffen and Hege, Hans-Christian}, title = {iCon.text - a customizable iPad app for kiosk applications in museum exhibitions}, series = {EVA 2012 Berlin}, booktitle = {EVA 2012 Berlin}, publisher = {Gesellschaft zur F{\"o}rderung angewandter Informatik e.V.}, address = {Volmerstraße 3, 12489 Berlin}, pages = {150 -- 155}, year = {2012}, language = {en} } @inproceedings{LindowBaumBondaretal.2012, author = {Lindow, Norbert and Baum, Daniel and Bondar, Ana-Nicoleta and Hege, Hans-Christian}, title = {Dynamic Channels in Biomolecular Systems: Path Analysis and Visualization}, series = {Proceedings of IEEE Symposium on Biological Data Visualization (biovis'12)}, booktitle = {Proceedings of IEEE Symposium on Biological Data Visualization (biovis'12)}, doi = {10.1109/BioVis.2012.6378599}, pages = {99 -- 106}, year = {2012}, language = {en} } @incollection{PoethkowHege2012, author = {P{\"o}thkow, Kai and Hege, Hans-Christian}, title = {Uncertainty Propagation in DT-MRI Anisotropy Isosurface Extraction}, series = {New Developments in the Visualization and Processing of Tensor Fields}, booktitle = {New Developments in the Visualization and Processing of Tensor Fields}, editor = {Laidlaw, David and Vilanova, Anna}, publisher = {Springer}, address = {Berlin}, pages = {209 -- 225}, year = {2012}, language = {en} } @misc{StallingWesterhoffHege2005, author = {Stalling, Detlev and Westerhoff, Malte and Hege, Hans-Christian}, title = {Amira: A highly interactive system for visual data analysis}, series = {The Visualization Handbook}, journal = {The Visualization Handbook}, editor = {Hansen, Charles and Johnson, Christopher}, publisher = {Elsevier}, doi = {10.1016/B978-012387582-2/50040-X}, pages = {749 -- 767}, year = {2005}, language = {en} } @inproceedings{LameckerZoecklerHaberletal.2005, author = {Lamecker, Hans and Z{\"o}ckler, Maja and Haberl, Hannes and Zachow, Stefan and Hege, Hans-Christian}, title = {Statistical shape modeling for craniosynostosis planning}, series = {2nd International Conference Advanced Digital Technology in Head and Neck Reconstruction 2005, Abstract Volume}, booktitle = {2nd International Conference Advanced Digital Technology in Head and Neck Reconstruction 2005, Abstract Volume}, address = {Banff, Alberta}, pages = {64}, year = {2005}, language = {en} } @article{TheiselWeinkaufHegeetal.2005, author = {Theisel, Holger and Weinkauf, Tino and Hege, Hans-Christian and Seidel, Hans-Peter}, title = {Topological methods for 2D time-dependent vector fields based on stream lines and path lines}, series = {IEEE Transactions on Visualization and Computer Graphics}, volume = {11}, journal = {IEEE Transactions on Visualization and Computer Graphics}, number = {4}, doi = {10.1109/TVCG.2005.68}, year = {2005}, language = {en} } @article{ZachowHegeDeuflhard2005, author = {Zachow, Stefan and Hege, Hans-Christian and Deuflhard, Peter}, title = {Maxillofacial surgery planning with 3D soft tissue prediction - modeling, planning, simulation}, series = {2. Int. Conf. on Advanced Digital Technology in Head and Neck Reconstruction, Abstract 33}, journal = {2. Int. Conf. on Advanced Digital Technology in Head and Neck Reconstruction, Abstract 33}, address = {Banff, Alberta, CA}, pages = {64}, year = {2005}, language = {en} }